BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

UOR

Number of entries in BioLiP:

Chemical formula:

C11 H8 Cl N O2

InChI:

InChI=1S/C11H8ClNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15)

InChIKey:

HPAOLHCBQKYITR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl
CACTVS 3.385	OC(=O)c1cc(ccc1Cl)n2cccc2
ACDLabs 12.01	O=C(O)c1cc(ccc1Cl)n1cccc1

Name:

2-chloro-5-(1H-pyrrol-1-yl)benzoic acid

ChEMBL:

CHEMBL405828

ZINC:

ZINC000000253709

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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