BioLiP

PDB

BioLiP

PDB CCD ID:

A1AP8

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O

InChI:

InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m0/s1

InChIKey:

VUFBCWUJICCKDU-LURJTMIESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nccn1CC(O)C
OpenEye OEToolkits 2.0.7	Cc1nccn1C[C@H](C)O
CACTVS 3.385	C[CH](O)Cn1ccnc1C
OpenEye OEToolkits 2.0.7	Cc1nccn1CC(C)O
CACTVS 3.385	C[C@H](O)Cn1ccnc1C

Name:

(2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol

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).