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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01392464

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.75
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.78
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
876N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-
DIPHOSPHONOPHENYLALANINAMIDE
A1O4B0.71
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.71
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.72
822N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE
A1O470.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.81
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
L86(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-
DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-
BENZOHEXAAZACYCLOHENICOSINE-3,24-
DIONE
A,B1NM60.8
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.8
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.73
KU84-[3-(1,4-diazepan-1-ylcarbonyl)-
4-fluorobenzyl]phthalazin-1(2H)-
one
A3C490.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.7
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.7
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.71
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.7
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B,C,D,E,F,
G,H,I,J
3CM20.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.73
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0F0.7
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0E0.7
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.71
TPI4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-
METHYL)-NAPHTHALENE-2-CARBONYL]-
AMINO}-BUTYRIC ACID
A1BZC0.71
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.79
FA4SM-25453A,B2D1O0.72
FA4SM-25453A,B2D1N0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.74
DFJN-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-
L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CNE0.71
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.83
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.73
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.71
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.77
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.74
PZQPRAZIQUANTELA1GTB0.76
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.74
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID
A2F6Z0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.72
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.78
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.7
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.7
TTXTENTOXINB1KMH0.77
NKKN~2~-(naphthalen-2-ylcarbonyl)-
L-lysyl-N-[(1S)-4-carbamimidamido-
1-formylbutyl]-L-lysinamide
B,D3E900.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.76
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.8
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.77
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.74
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.71
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.72
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.76
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.73
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.7
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.7