Structure of PDB 3bcr Chain A Binding Site BS01 |
| >3bcr Chain A (length=813) Species: 9986 (Oryctolagus cuniculus)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
QISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRD
HLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEA
TYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRY
EFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQ
GAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLGYIQAVL
DRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFG
TNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCA
YTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVD
RLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYE
LEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLS
YVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEY
KRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLI
TAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEA
SGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQ
RGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKV
FADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYARE
IWGVEPSRQRLPA |
|
|
| Ligand ID | AZZ |
| InChI | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 |
| InChIKey | HBOMLICNUCNMMY-XLPZGREQSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)CO | | OpenEye OEToolkits 1.7.6 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] | | CACTVS 3.370 | CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O | | OpenEye OEToolkits 1.7.6 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-] | | CACTVS 3.370 | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O |
|
| Formula | C10 H13 N5 O4 |
| Name | 3'-azido-3'-deoxythymidine;
Azidothymidine;
Zidovudine |
| ChEMBL | CHEMBL129 |
| DrugBank | DB00495 |
| ZINC | ZINC000003779042
|
| PDB chain | 3bcr Chain A Residue 940
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
