Structure of PDB 3bz8 Chain A Binding Site BS03 |
| >3bz8 Chain A (length=703) Species: 44689 (Dictyostelium discoideum)
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NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE
IVSETSDSFTFKTVDQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPAV
FHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEVA
PHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAGR
VLEQQILQANPILEAFGNAKTTRNNNSSRFGKFIEIQFNSAGFISGASIQ
SYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYLNQ
SGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNIKF
EKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQHL
NVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISGFE
IFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFGLD
SQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAKYE
EPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNVVT
KLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCIIPN
NKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYFVQYRFGITKI
FFR |
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| Ligand ID | BL6 |
| InChI | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 |
| InChIKey | KAJFGRLMKVNMLH-GOSISDBHSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O | | CACTVS 3.341 | Cc1ccc2C(=O)[C@]3(O)CCN(c4ccccc4)C3=Nc2c1 | | CACTVS 3.341 | Cc1ccc2C(=O)[C]3(O)CCN(c4ccccc4)C3=Nc2c1 | | ACDLabs 10.04 | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | | OpenEye OEToolkits 1.5.0 | Cc1ccc2c(c1)N=C3C(C2=O)(CCN3c4ccccc4)O |
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| Formula | C18 H16 N2 O2 |
| Name | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| ChEMBL | CHEMBL1231377 |
| DrugBank | DB07469 |
| ZINC | ZINC000024970236
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| PDB chain | 3bz8 Chain A Residue 800
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