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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01714122

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKC0.8
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKD0.8
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.83
SP7N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}acetamide
A,B3CNP0.74
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.74
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.74
BPR(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-
1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-
5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-
2-YL]-L-PROLINAMIDE
A,B,C,D2AJD0.7
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.76
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.8
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.8
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.72
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.73
MNVN-METHYL-C-AMINO VALINEC1CWJ0.84
SSM(2S)-2-(acetylamino)-N-methyl-4-
[(S)-methylsulfinyl]butanamide
A3BQF0.73
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.74
VLMVALINYLAMINEG,M,P,S1YYM0.71
VLMVALINYLAMINEG,M,P,S2I5Y0.71
VLMVALINYLAMINEG,M,P,S1YYL0.71
VLMVALINYLAMINEG,M,P,S2I600.71