BioLiP

PDB

BioLiP

PDB CCD ID:

ALZ

Number of entries in BioLiP:

Chemical formula:

C17 H26 N4 O3

InChI:

InChI=1S/C17H26N4O3/c18-10-4-5-11-19-20-16(22)15-9-6-12-21(15)17(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13,18H2,(H,20,22)/t15-/m0/s1

InChIKey:

MOCIXHUQBOUBAK-HNNXBMFYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(OCc1ccccc1)N2C(C(=O)NNCCCCN)CCC2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN
CACTVS 3.370	NCCCCNNC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COC(=O)N2CCCC2C(=O)NNCCCCN
CACTVS 3.370	NCCCCNNC(=O)[CH]1CCCN1C(=O)OCc2ccccc2

Name:

2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER

DrugBank:

DB07366

ZINC:

ZINC000003874384

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).