BioLiP

PDB

BioLiP

PDB CCD ID:

WOD

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O

InChI:

InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1

InChIKey:

UHWKRAJPWOGTQP-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1C(CNC1)c3onc(C2CC2)n3
OpenEye OEToolkits 2.0.7	C1CC1c2nc(on2)C3CCNC3
CACTVS 3.385	C1C[C@H](CN1)c2onc(n2)C3CC3
CACTVS 3.385	C1C[CH](CN1)c2onc(n2)C3CC3
OpenEye OEToolkits 2.0.7	C1CNC[C@@H]1c2nc(no2)C3CC3

Name:

3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

ZINC:

ZINC000062119632

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).