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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00468099

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HU4TERT-BUTYL {(1S)-2-[(1R,2S,5R)-
2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]AMINO}CARBONYL)-
7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-
3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE		A,C2OC70.73
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.73
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.75
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		A1K1O0.7
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		H,I1K210.7
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CAY0.74
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CBA0.74
TRL{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-
PYRROLIDINE-1-CARBONYL]-2-METHYL-
PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER		A,B1N1L0.71
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.73
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.72
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,C2OC00.75
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC90.71
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate		B1SP40.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.71
BB2ACTINONINA,B,C,D3G5K0.78
BB2ACTINONINA,B,C1LRU0.78
BB2ACTINONINA,B2OKL0.78
BB2ACTINONINA2OS10.78
BB2ACTINONINA,B,C1G2A0.78
BB2ACTINONINA1Q1Y0.78
BB2ACTINONINA,B,C,D,E,F,
G,H		1SZZ0.78
BB2ACTINONINA1LQY0.78
BB2ACTINONINA2OS30.78
BB2ACTINONINA1LRY0.78
BB2ACTINONINA,B1IX10.78
BB2ACTINONINA1WS10.78
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.71
UZ9(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-
10,13-DIMETHYL-3-OXOHEXADECAHYDRO-
1H-CYCLOPENTA[A]PHENANTHREN-17-
YL]PENTANOYL}AMINO)HEXANOIC ACID		A,B1UZ90.7
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid		A2K620.72
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.76
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.72
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,C2OBO0.75
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.7
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.7
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.72
LY5(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-
4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-
3-carboxylic acid		A,B,C,D2QS40.71
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.71
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.71
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID		A,B,C1YM40.71