Structure of PDB 3k7f Chain B Binding Site BS01 |
>3k7f Chain B (length=545) Species: 10116 (Rattus norvegicus)
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GRQKARGAATRARQKQRASLETMDKAVQRFRLQNPDLDSEALLTLPLLQL VQKLQSGELSPEAVFFTYLGKAWEVNKGTNCVTSYLTDCETQLSQAPRQG LLYGVPVSLKECFSYKGHDSTLGLSLNEGMPSESDCVVVQVLKLQGAVPF VHTNVPQSMFSYDCSNPLFGQTMNPWKSSKSPGGSSGGEGALIGSGGSPL GLGTDIGGSIRFPSAFCGICGLKPTGNRLSKSGLKGCVYGQTAVQLSLGP MARDVESLALCLKALLCEHLFTLDPTVPPLPFREEVYRSSRPLRVGYYET DNYTMPSPAMRRALIETKQRLEAAGHTLIPFLPNNIPYALEVLSTGGLFS DGGRSFLQNFKGDFVDPCLGDLILILRLPSWFKRLLSLLLKPLFPRLAAF LNNMRPRSAEKLWKLQHEIEMYRQSVIAQWKAMNLDVLLTPMLGPALDLN TPGRATGAVSYTMLYNCLDFPAGVVPVTTVTAEDDAQMELYKGYFGDIWD IILKKAMKNSVGLPVAVQCVALPWQEELCLRFMREVEQLMTPQKQ |
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Ligand ID | F2C |
InChI | InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27) |
InChIKey | DZMRAEAGLIEJDZ-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.352 | OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3ccccc3 | ACDLabs 11.02 | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3 | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O |
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Formula | C22 H22 N2 O4 |
Name | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid; 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate |
ChEMBL | CHEMBL219942 |
DrugBank | |
ZINC | ZINC000034803644
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PDB chain | 3k7f Chain B Residue 1
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