H1U Ligand Summary Page - RCSB PDB

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227,933 Structures from the PDB 1,068,577 Computed Structure Models (CSM)

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Data API H1U

N-[[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]methyl]cycloheptanamine

Find entries where: H1U is present as a standalone ligand in 1 entriesFind related ligands:Similar Ligands (Stereospecific)Similar Ligands (including Stereoisomers)Similar Ligands (Quick Screen)Similar Ligands (Substructure Stereospecific)Similar Ligands (Substructure including Stereoisomers)Toggle HydrogenToggle Labels

Chemical Component Summary
Name	N-[[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]methyl]cycloheptanamine
Identifiers	~{N}-[[3-[2-[(phenylmethyl)amino]ethyl]-1~{H}-indol-2-yl]methyl]cycloheptanamine
Formula	C25 H33 N3
Molecular Weight	375.55
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4
InChI	InChI=1S/C25H33N3/c1-2-7-13-21(12-6-1)27-19-25-23(22-14-8-9-15-24(22)28-25)16-17-26-18-20-10-4-3-5-11-20/h3-5,8-11,14-15,21,26-28H,1-2,6-7,12-13,16-19H2
InChIKey	VJTXDVYRAXQJAK-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	16

Related Resource References

Resource Name	Reference
PubChem	156619928

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