BioLiP

PDB

BioLiP

PDB CCD ID:

J4P

Number of entries in BioLiP:

Chemical formula:

C21 H21 F3 N2 O3

InChI:

InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)19(16)24)13-5-7-14(8-6-13)20(21(28)26-29)25-18(27)9-12-3-1-2-4-12/h5-8,10-12,20,29H,1-4,9H2,(H,25,27)(H,26,28)/t20-/m1/s1

InChIKey:

HNDYSIVAWBSELI-HXUWFJFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ONC(=O)[C@H](NC(=O)CC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CCCC3
ACDLabs 12.01	N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(CC3CCCC3)=O
CACTVS 3.385	ONC(=O)[CH](NC(=O)CC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3

Name:

(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide

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).