BioLiP

PDB

BioLiP

PDB CCD ID:

8KF

Number of entries in BioLiP:

Chemical formula:

C20 H13 F3 N2 O2

InChI:

InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27)

InChIKey:

BTPUVXUBUMOBRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3cc(ccc3[nH]2)Nc4ccc(cc4C(=O)O)C(F)(F)F
CACTVS 3.385	OC(=O)c1cc(ccc1Nc2ccc3[nH]c4ccccc4c3c2)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O

Name:

2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).