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Target
Transient receptor potential cation channel subfamily V member 6
Ligand
BDBM50550086
Substrate
n/a
Meas. Tech.
ChEMBL_2026369 (CHEMBL4680527)
IC50
2400±n/a nM
Citation
 Cunha, MR; Bhardwaj, R; Carrel, AL; Lindinger, S; Romanin, C; Parise-Filho, R; Hediger, MA; Reymond, JL Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor. RSC Med Chem 11:1032-1040 (2020) [PubMed]  Article 
Target
Name:
Transient receptor potential cation channel subfamily V member 6
Synonyms:
CaT-L | CaT-like | CaT1 | Calcium transport protein 1 | ECAC2 | Epithelial calcium channel 2 | TRPV6 | TRPV6_HUMAN
Type:
PROTEIN
Mol. Mass.:
87295.84
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103784
Residue:
765
Sequence:
MGPLQGDGGPALGGADVAPRLSPVRVWPRPQAPKEPALHPMGLSLPKEKGLILCLWSKFCRWFQRRESWAQSRDEQNLLQQKRIWESPLLLAAKDNDVQALNKLLKYEDCKVHQRGAMGETALHIAALYDNLEAAMVLMEAAPELVFEPMTSELYEGQTALHIAVVNQNMNLVRALLARRASVSARATGTAFRRSPCNLIYFGEHPLSFAACVNSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDRHGDHLQPLDLVPNHQGLTPFKLAGVEGNTVMFQHLMQKRKHTQWTYGPLTSTLYDLTEIDSSGDEQSLLELIITTKKREARQILDQTPVKELVSLKWKRYGRPYFCMLGAIYLLYIICFTMCCIYRPLKPRTNNRTSPRDNTLLQQKLLQEAYMTPKDDIRLVGELVTVIGAIIILLVEVPDIFRMGVTRFFGQTILGGPFHVLIITYAFMVLVTMVMRLISASGEVVPMSFALVLGWCNVMYFARGFQMLGPFTIMIQKMIFGDLMRFCWLMAVVILGFASAFYIIFQTEDPEELGHFYDYPMALFSTFELFLTIIDGPANYNVDLPFMYSITYAAFAIIATLLMLNLLIAMMGDTHWRVAHERDELWRAQIVATTVMLERKLPRCLWPRSGICGREYGLGDRWFLRVEDRQDLNRQRIQRYAQAFHTRGSEDLDKDSVEKLELGCPFSPHLSLPMPSVSRSTSRSSANWERLRQGTLRRDLRGIINRGLEDGESWEYQI
  
Inhibitor
Name:
BDBM50550086
Synonyms:
CHEMBL4790237
Type:
Small organic molecule
Emp. Form.:
C20H33N3O
Mol. Mass.:
331.4955
SMILES:
CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:7.10,4.3,(65.42,-24.82,;65.44,-23.29,;66.77,-22.53,;66.76,-24.05,;64.12,-22.51,;64.13,-20.97,;62.8,-20.18,;61.48,-20.95,;61.46,-22.48,;62.77,-23.27,;60.14,-20.17,;58.8,-20.93,;57.48,-20.16,;57.49,-18.6,;56.16,-17.83,;54.82,-18.6,;53.49,-17.81,;52.17,-18.6,;52.17,-20.14,;50.83,-20.91,;53.49,-20.9,;54.82,-20.14,;58.82,-17.84,;60.15,-18.63,)|
Structure:
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