BioLiP

PDB

BioLiP

PDB CCD ID:

GLH

Number of entries in BioLiP:

Chemical formula:

C18 H31 N3 O4

InChI:

InChI=1S/C18H31N3O4/c19-15(17(23)24)11-12-16(22)21(14-9-5-2-6-10-14)18(25)20-13-7-3-1-4-8-13/h13-15H,1-12,19H2,(H,20,25)(H,23,24)/t15-/m0/s1

InChIKey:

RAARUSGPXZLHBT-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](CCC(=O)N(C1CCCCC1)C(=O)NC2CCCCC2)C(O)=O
OpenEye OEToolkits 1.5.0	C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CCC(C(=O)O)N
ACDLabs 10.04	O=C(NC1CCCCC1)N(C(=O)CCC(C(=O)O)N)C2CCCCC2
CACTVS 3.341	N[CH](CCC(=O)N(C1CCCCC1)C(=O)NC2CCCCC2)C(O)=O

Name:

N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINE

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).