BioLiP

PDB

BioLiP

PDB CCD ID:

RQH

Number of entries in BioLiP:

Chemical formula:

C15 H17 Cl N2 O2

InChI:

InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1

InChIKey:

OWEGWHBOCFMBLP-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl
CACTVS 3.385	CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n2ccnc2
CACTVS 3.385	CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl

Name:

(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one;
Climbazole

ZINC:

ZINC000000000164

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).