SEQ2FUN

BioLiP

PDB CCD ID: AZL
Number of entries in BioLiP: 1
Chemical formula: C21 H33 N5 O4
InChI: InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1
InChIKey: AEHSFPPTWRQOFS-MSOLQXFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCOC(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NNCCCCN
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN
CACTVS 3.370CCOC(=O)N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NNCCCCN
ACDLabs 12.01O=C(NNCCCCN)C2N(C(=O)C(NC(=O)OCC)Cc1ccccc1)CCC2
Name:1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE
DrugBank: DB07400
ZINC: ZINC000003870519
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).