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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00726527

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.74
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.76
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.88
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.77
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.77
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.82
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.75
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.71
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.75
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER
A2G8J0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.72
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.75
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.82
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.7
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.82
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.75
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.81
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.76
CPUA,B1CR60.72
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
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide
H,L3ELA0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.81
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.81
TTXTENTOXINB1KMH0.73
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.88
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.81
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.75
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.81
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.76
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,H,L3DD20.73
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,D,F,H1XMN0.73
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.82