BioLiP

PDB

BioLiP

PDB CCD ID:

CLH

Number of entries in BioLiP:

Chemical formula:

C10 H17 N3 O5

InChI:

InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1

InChIKey:

JGTOTYLLHQQHPV-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CCCCNC(=O)CNC(=O)C=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](CCCCNC(=O)CNC(=O)C=O)C(O)=O
ACDLabs 10.04	O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O
OpenEye OEToolkits 1.5.0	C(CCNC(=O)CNC(=O)C=O)CC(C(=O)O)N

Name:

2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACETYLAMINO]-HEXANOIC ACID

ZINC:

ZINC000058632663

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).