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BioLiP

PDB CCD ID: 0LA
Number of entries in BioLiP: 4
Chemical formula: C15 H12 Cl N O2
InChI: InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1
InChIKey: PUXBGTOOZJQSKH-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O
CACTVS 3.385C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
CACTVS 3.385C[C@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1
OpenEye OEToolkits 1.7.6CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O
ACDLabs 12.01O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C
Name:(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid;
(S)-carprofen
ChEMBL: CHEMBL2171249
ZINC: ZINC000000020235
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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