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BioLiP

PDB CCD ID: A8B
Number of entries in BioLiP: 1
Chemical formula: C30 H36 N4
InChI: InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
InChIKey: UNVOAAWEEGAXTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c1c(cccc1)c(cc2)NCCCCCCCCNc3c5c(nc4c3CCCC4)cccc5
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5
CACTVS 3.352C(CCCCNc1c2CCCCc2nc3ccccc13)CCCNc4ccnc5ccccc45
Name:N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE;
TACRINE(8)-4-AMINOQUINOLINE
ChEMBL: CHEMBL1082738
DrugBank: DB04616
ZINC: ZINC000012504439
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)(download the PDF file).
  • 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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