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BioLiP

PDB CCD ID: ALH
Number of entries in BioLiP: 2
Chemical formula: C16 H17 N3 O
InChI: InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
InChIKey: PRIGRJPRGZCFAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2
ACDLabs 10.04n1c3c(ncc1)c(c(c2ccc(O)cc2)n3)CCCC
CACTVS 3.341CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3
Name:6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE;
ALOISINE A
ChEMBL: CHEMBL75680
DrugBank: DB07364
ZINC: ZINC000002540737
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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