Results: Ligand

Ligand ID: D16

Drugbank ID:
Raltitrexed
(DB00293)

Indication:
Raltitrexed is a folate analog thymidylate synthase inhibitor used in the treatment of advanced colorectal cancer.

LIST OF BINDING INTERFACES for query 'D16'

(Click on the 'Details' column to view details on interfaces and similar patterns of amino acids)
(Click on the 'View' column to view patterns on the structural viewer)

DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details
1HVY_A_D16A414	1hvy	D16	Raltitrexed (DB00293)	Homo sapiens	THYMIDYLATE SYNTHASE	Thymidylat_synt	15	LYS A 77 PHE A 80 GLU A 87 ILE A 108 TRP A 109 ASN A 112 LEU A 192 ASP A 218 LEU A 221 GLY A 222 PHE A 225 ASN A 226 TYR A 258 MET A 311 ALA A 312	D16 A 414
2KCE_A_D16A566	2kce	D16	Raltitrexed (DB00293)	Escherichia coli	THYMIDYLATE SYNTHASE	Thymidylat_synt	19	ARG A 21 LYS A 48 HIS A 51 SER A 54 GLU A 58 ILE A 79 TRP A 80 TRP A 83 LEU A 143 ASP A 169 LEU A 172 GLY A 173 PHE A 176 ASN A 177 TYR A 209 LYS A 259 ALA A 260 VAL A 262 ALA A 263	D16 A 566
3NRR_A_D16A520	3nrr	D16	Raltitrexed (DB00293)	Babesia bovis	DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE	DHFR_1 Thymidylat_synt	16	PHE A 14 VAL A 15 ALA A 16 ILE A 29 ASP A 37 PHE A 38 LEU A 41 ARG A 42 THR A 69 ILE A 73 PRO A 74 SER A 77 LEU A 80 LEU A 123 TYR A 129 THR A 144	D16 A 520
3NRR_A_D16A530	3nrr	D16	Raltitrexed (DB00293)	Babesia bovis	DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE	DHFR_1 Thymidylat_synt	18	THR A 249 LYS A 275 ALA A 278 SER A 281 GLU A 285 ILE A 306 TRP A 307 ASN A 310 LEU A 390 ASP A 416 LEU A 419 GLY A 420 PHE A 423 TYR A 456 ILE A 505 MET A 507 MET A 509 SER A 510	D16 A 530
4EB4_A_D16A402	4eb4	D16	Raltitrexed (DB00293)	Mus musculus	THYMIDYLATE SYNTHASE	Thymidylat_synt	18	PHE A 74 GLU A 81 ILE A 102 TRP A 103 ASN A 106 LEU A 186 ASP A 212 LEU A 215 GLY A 216 PHE A 219 ASN A 220 TYR A 252 ILE A 301 LYS A 302 MET A 303 GLU A 304 MET A 305 ALA A 306	D16 A 402
4FOX_A_D16A301	4fox	D16	Raltitrexed (DB00293)	Mycobacterium tuberculosis	THYMIDYLATE SYNTHASE	Thymidylat_synt	14	HIS A 51 SER A 54 GLU A 58 ILE A 79 TRP A 80 TRP A 83 LEU A 143 ASP A 169 LEU A 172 GLY A 173 PHE A 176 TYR A 209 ILE A 257 ALA A 259	D16 A 301
4IQQ_A_D16A402	4iqq	D16	Raltitrexed (DB00293)	Caenorhabditis elegans	THYMIDYLATE SYNTHASE	Thymidylat_synt	9	ARG A 80 TYR A 82 ILE A 110 ASP A 220 LEU A 223 GLY A 224 PHE A 227 ASN A 228 TYR A 260	D16 A 402
5H3A_A_D16A401	5h3a	D16	Raltitrexed (DB00293)	Human herpesvirus 8	ORF70	NA	8	PHE A 104 ILE A 132 ASP A 242 LEU A 245 GLY A 246 PHE A 249 ASN A 250 TYR A 282	D16 A 401
6K7S_A_D16A302	6k7s	D16	Raltitrexed (DB00293)	Penaeus vannamei	THYMIDYLATE SYNTHASE	Thymidylat_synt	11	LYS A 53 PHE A 56 ILE A 84 ASP A 194 LEU A 197 GLY A 198 PHE A 201 ASN A 202 TYR A 234 MET A 287 ALA A 288	D16 A 302
DrReposER ID	PDB	Ligand	Drug	Organism	Macromolecule	Pfam	Res.	Interface	HETATM	View	Details

[["1HVY_A_D16A414","1hvy","D16","Raltitrexed (DB00293)","Homo sapiens","THYMIDYLATE SYNTHASE","Thymidylat_synt",15,"LYS A  77;PHE A  80;GLU A  87;ILE A 108;TRP A 109;ASN A 112;LEU A 192;ASP A 218;LEU A 221;GLY A 222;PHE A 225;ASN A 226;TYR A 258;MET A 311;ALA A 312","D16 A 414\r"],["2KCE_A_D16A566","2kce","D16","Raltitrexed (DB00293)","Escherichia coli","THYMIDYLATE SYNTHASE","Thymidylat_synt",19,"ARG A  21;LYS A  48;HIS A  51;SER A  54;GLU A  58;ILE A  79;TRP A  80;TRP A  83;LEU A 143;ASP A 169;LEU A 172;GLY A 173;PHE A 176;ASN A 177;TYR A 209;LYS A 259;ALA A 260;VAL A 262;ALA A 263","D16 A 566\r"],["3NRR_A_D16A520","3nrr","D16","Raltitrexed (DB00293)","Babesia bovis","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","DHFR_1;Thymidylat_synt",16,"PHE A  14;VAL A  15;ALA A  16;ILE A  29;ASP A  37;PHE A  38;LEU A  41;ARG A  42;THR A  69;ILE A  73;PRO A  74;SER A  77;LEU A  80;LEU A 123;TYR A 129;THR A 144","D16 A 520\r"],["3NRR_A_D16A530","3nrr","D16","Raltitrexed (DB00293)","Babesia bovis","DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE","DHFR_1;Thymidylat_synt",18,"THR A 249;LYS A 275;ALA A 278;SER A 281;GLU A 285;ILE A 306;TRP A 307;ASN A 310;LEU A 390;ASP A 416;LEU A 419;GLY A 420;PHE A 423;TYR A 456;ILE A 505;MET A 507;MET A 509;SER A 510","D16 A 530\r"],["4EB4_A_D16A402","4eb4","D16","Raltitrexed (DB00293)","Mus musculus","THYMIDYLATE SYNTHASE","Thymidylat_synt",18,"PHE A  74;GLU A  81;ILE A 102;TRP A 103;ASN A 106;LEU A 186;ASP A 212;LEU A 215;GLY A 216;PHE A 219;ASN A 220;TYR A 252;ILE A 301;LYS A 302;MET A 303;GLU A 304;MET A 305;ALA A 306","D16 A 402\r"],["4FOX_A_D16A301","4fox","D16","Raltitrexed (DB00293)","Mycobacterium tuberculosis","THYMIDYLATE SYNTHASE","Thymidylat_synt",14,"HIS A  51;SER A  54;GLU A  58;ILE A  79;TRP A  80;TRP A  83;LEU A 143;ASP A 169;LEU A 172;GLY A 173;PHE A 176;TYR A 209;ILE A 257;ALA A 259","D16 A 301\r"],["4IQQ_A_D16A402","4iqq","D16","Raltitrexed (DB00293)","Caenorhabditis elegans","THYMIDYLATE SYNTHASE","Thymidylat_synt",9,"ARG A  80;TYR A  82;ILE A 110;ASP A 220;LEU A 223;GLY A 224;PHE A 227;ASN A 228;TYR A 260","D16 A 402\r"],["5H3A_A_D16A401","5h3a","D16","Raltitrexed (DB00293)","Human herpesvirus 8","ORF70","NA",8,"PHE A 104;ILE A 132;ASP A 242;LEU A 245;GLY A 246;PHE A 249;ASN A 250;TYR A 282","D16 A 401\r"],["6K7S_A_D16A302","6k7s","D16","Raltitrexed (DB00293)","Penaeus vannamei","THYMIDYLATE SYNTHASE","Thymidylat_synt",11,"LYS A  53;PHE A  56;ILE A  84;ASP A 194;LEU A 197;GLY A 198;PHE A 201;ASN A 202;TYR A 234;MET A 287;ALA A 288","D16 A 302\r"]]