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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00958933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
Y11N-[(1S)-2-[(4-cyano-1-methylpiperidin-
4-yl)amino]-1-(cyclohexylmethyl)-
2-oxoethyl]morpholine-4-carboxamide
A,B2R9M0.73
HU1TERT-BUTYL {(1S)-2-[(1R,2S,5S)-
2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]AMINO}CARBONYL)-
6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-
3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE
A,C2OC00.77
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.72
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.72
NMP2-[2-(2-CYCLOHEXYL-2-GUANIDINO-
ACETYLAMINO)-ACETYLAMINO]-N-(3-
MERCAPTO-PROPYL)-PROPIONAMIDE
A1M4B0.72
277N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-
3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-
3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE
A,B2OPH0.81
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.74
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
A1K1O0.74
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
H,I1K210.74
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.71
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.74
HU5(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]-3-[(2S)-2-{[(TERT-
BUTYLAMINO)CARBONYL]AMINO}-3,3-
DIMETHYLBUTANOYL]-6,6-DIMETHYL-
3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE
A,C2OC80.76
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.7
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.73
HUDTERT-BUTYL [(1S)-1-{[(1R,2S,5S)-
2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)-
2,3-DIOXOPROPYL]AMINO}CARBONYL)-
6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-
3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE
A,C2OBO0.73