BioLiP

PDB

BioLiP

PDB CCD ID:

F3R

Number of entries in BioLiP:

Chemical formula:

C12 H20 N6 O2

InChI:

InChI=1S/C12H20N6O2/c1-8(11(20)14-12-15-17-18-16-12)13-10(19)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,19)(H2,14,15,16,17,18,20)/t8-/m0/s1

InChIKey:

BNGVCLIJCHQJSI-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2
OpenEye OEToolkits 2.0.7	CC(C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2
OpenEye OEToolkits 2.0.7	C[C@@H](C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2
CACTVS 3.385	C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2
ACDLabs 12.01	O=C(Nc1nnn[NH]1)C(C)NC(=O)CC1CCCCC1

Name:

N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide

ZINC:

ZINC000071796054

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).