BioLiP

PDB

BioLiP

PDB CCD ID:

H0D

Number of entries in BioLiP:

Chemical formula:

C11 H15 Cl N2 O2

InChI:

InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1

InChIKey:

WLAQZHZJODLWGO-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1
ACDLabs 12.01	N(C(CO)CC)C(=O)Nc1ccc(cc1)Cl
OpenEye OEToolkits 2.0.6	CCC(CO)NC(=O)Nc1ccc(cc1)Cl
OpenEye OEToolkits 2.0.6	CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl
CACTVS 3.385	CC[CH](CO)NC(=O)Nc1ccc(Cl)cc1

Name:

N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea

ZINC:

ZINC000000406752

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).