BioLiP

PDB

BioLiP

PDB CCD ID:

4QK

Number of entries in BioLiP:

Chemical formula:

C10 H19 N5 O2

InChI:

InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1

InChIKey:

KBEXJPQJYWPLIB-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN
ACDLabs 12.01	NC(CCCCn1cc(CCN)nn1)C(O)=O
CACTVS 3.385	NCCc1cn(CCCC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 1.7.6	c1c(nnn1CCCCC(C(=O)O)N)CCN
CACTVS 3.385	NCCc1cn(CCCC[C@H](N)C(O)=O)nn1

Name:

6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine

ZINC:

ZINC000584904929

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).