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BioLiP Library

PDB CCD ID: D24
Number of entries in BioLiP: 0
Chemical formula: C28 H28 N4 O
InChI: InChI=1S/C28H28N4O/c29-27(31-23-5-1-2-6-23)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24-7-3-4-8-24/h1-18,23-24,27-28,31-32H,29-30H2/t27-,28+
InChIKey: IKWANHYVTLMFON-HNRBIFIRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5
CACTVS 3.341N[C@H](NC1C=CC=C1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[C@@H](N)NC5C=CC=C5
ACDLabs 10.04o1c(ccc1c2ccc(cc2)C(N)NC3C=CC=C3)c4ccc(cc4)C(N)NC5C=CC=C5
CACTVS 3.341N[CH](NC1C=CC=C1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5C=CC=C5
Name:2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN
ZINC: ZINC000035264326
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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