SEQ2FUN

BioLiP

PDB CCD ID: 1DR
Number of entries in BioLiP: 1
Chemical formula: C15 H10 N2 O
InChI: InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
InChIKey: VWNCOFUKBTYAON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O=Cc1c[nH]c2c3[nH]c4ccccc4c3ccc12
ACDLabs 11.02O=Cc4c3c(c2nc1c(cccc1)c2cc3)nc4
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O
Name:1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
ChEMBL: CHEMBL583972
ZINC: ZINC000044712566
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).