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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02517369

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.78
PZQPRAZIQUANTELA1GTB0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
IZDISOTHIAZOLIDINONE ANALOGA2CM70.72
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.8
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
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
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.78
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.73
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.73
T16BOROLOG2H1A3E0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.74
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A5G0.7
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A460.7
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A610.7
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.82
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.81
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.81
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.78
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.75
SX44-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-
1-yl]carbonyl}aniline
A,B3CJ30.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.85
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.76
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.73
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.79
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.72
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.78
ESH4- [(1R,3AS,4R,8AS,8BR)- 2- (4-
CHLOROBENZYL)- 1- ISOPROPYL- 3-
OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-
4- YL]BENZENECARBOXIMIDAMIDE
H2CF80.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.7
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.81
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.81
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,B3EYL0.72
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
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.8
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.85
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.78
2O77A-[(4-cyanophenyl)methyl]-6-(3,5-
dichlorophenyl)-5-oxo-2,3,5,7A-
tetrahydro-1H-pyrrolo[1,2-A]pyrrole-
7-carbonitrile
A2O7N0.78
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
BCC6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-
INDOLIZINE-3-CARBALDEHYDE
H,I,R1B5G0.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.73
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.8
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
A1AUJ0.74
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,H,L3DD20.74
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,D,F,H1XMN0.74
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide
H,L3ELA0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.77
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
3CM20.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74