English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1BKB

Summary

Name:	1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide
Formula:	C15 H14 Br N5 O
Formal charge:	0
Formula weight:	360.209 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide
OpenEye OEToolkits	3.1.0.0	1-[[(7-bromanyl-9~{H}-pyrimido[4,5-b]indol-4-yl)amino]methyl]cyclopropane-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NC(=O)C1(CC1)CNc1ncnc2[NH]c3cc(Br)ccc3c12
InChI	InChI	1.06	InChI=1S/C15H14BrN5O/c16-8-1-2-9-10(5-8)21-13-11(9)12(19-7-20-13)18-6-15(3-4-15)14(17)22/h1-2,5,7H,3-4,6H2,(H2,17,22)(H2,18,19,20,21)
InChIKey	InChI	1.06	YLNJPEGUTGFJHW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)C1(CC1)CNc2ncnc3[nH]c4cc(Br)ccc4c23
SMILES	CACTVS	3.385	NC(=O)C1(CC1)CNc2ncnc3[nH]c4cc(Br)ccc4c23
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1Br)[nH]c3c2c(ncn3)NCC4(CC4)C(=O)N
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1Br)[nH]c3c2c(ncn3)NCC4(CC4)C(=O)N

248636

PDB entries from 2026-02-04

PDB statistics

PDBj update info

Contact PDBj

numon