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BioLiP

PDB CCD ID: KCT
Number of entries in BioLiP: 2
Chemical formula: C21 H13 N3 O3
InChI: InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,19,22-23H,(H,24,25)(H,26,27)/t19-/m0/s1
InChIKey: LYSTWLDKIFYXOG-IBGZPJMESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)[CH]1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O
ACDLabs 12.01O=C(O)C6c5c2c1ccccc1nc2c4nc3ccccc3c4c5C(=O)N6
CACTVS 3.370OC(=O)[C@H]1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4C(=O)O
Name:(5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid
ZINC: ZINC000085591858
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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