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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02889568

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.78
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.72
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.84
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.76
TTXTENTOXINB1KMH0.9
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.7
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.7
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.7
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.78
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.71
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.72
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.73
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
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
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.75
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.75
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
CPUA,B1CR60.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.7
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.7
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.73
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.75
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.72
BPP(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINOMETHYL-
3AH-INDOL-2-YL-METHANONE
B,H1D4P0.71
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.71
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.75
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.76
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.73
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.76
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.76
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.71
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71