BioLiP

PDB

BioLiP

PDB CCD ID:

FNM

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O S

InChI:

InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1

InChIKey:

LMVPQMGRYSRMIW-KRWDZBQOSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CSC1=N[C@](C)(C(=O)N1Nc2ccccc2)c3ccccc3
OpenEye OEToolkits 1.7.0	CC1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3
OpenEye OEToolkits 1.7.0	C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3
CACTVS 3.352	CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccccc3

Name:

(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one

ChEMBL:

CHEMBL1232792

ZINC:

ZINC000013827994

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).