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BioLiP

PDB CCD ID: ALZ
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01O=C(OCc1ccccc1)N2C(C(=O)NNCCCCN)CCC2
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN
CACTVS 3.370NCCCCNNC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC(=O)N2CCCC2C(=O)NNCCCCN
CACTVS 3.370NCCCCNNC(=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, Peter L 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).

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