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BDBM85839 [Pro34,Phe35]h alpha-CGRP27-37

SMILES: [H][N]1([#6]-[#6]-[#6]-[#6@H]1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O)[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6]

InChI Key: InChIKey=SUXQHYWYWVDTBR-LFCJLEJMSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 85839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CGRP


(PIG)
BDBM85839
PNG
([Pro34,Phe35]h alpha-CGRP27-37)
Show SMILES [H][N]1(CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C
Show InChI InChI=1S/C46H66N11O11/c1-25(2)37(55-43(65)33(23-35(47)59)54-46(68)38(27(4)58)56-41(63)30-17-11-19-49-30)45(67)50-24-36(60)57-20-12-18-34(57)44(66)53-32(22-29-15-9-6-10-16-29)42(64)51-26(3)40(62)52-31(39(48)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-34,37-38,49,57-58H,11-12,17-24H2,1-4H3,(H2,47,59)(H2,48,61)(H,50,67)(H,51,64)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,63)/t26-,27+,30-,31-,32-,33-,34-,37-,38-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
50.7n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
RAMP1


(PIG)
BDBM85839
PNG
([Pro34,Phe35]h alpha-CGRP27-37)
Show SMILES [H][N]1(CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C
Show InChI InChI=1S/C46H66N11O11/c1-25(2)37(55-43(65)33(23-35(47)59)54-46(68)38(27(4)58)56-41(63)30-17-11-19-49-30)45(67)50-24-36(60)57-20-12-18-34(57)44(66)53-32(22-29-15-9-6-10-16-29)42(64)51-26(3)40(62)52-31(39(48)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-34,37-38,49,57-58H,11-12,17-24H2,1-4H3,(H2,47,59)(H2,48,61)(H,50,67)(H,51,64)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,63)/t26-,27+,30-,31-,32-,33-,34-,37-,38-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
118n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair