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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03360362

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
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.78
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.79
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.84
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.77
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.84
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.84
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.75
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.77
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.79
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.79
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.73
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide
H,L3ELA0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.89
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.74
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.73
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
2O77A-[(4-cyanophenyl)methyl]-6-(3,5-
dichlorophenyl)-5-oxo-2,3,5,7A-
tetrahydro-1H-pyrrolo[1,2-A]pyrrole-
7-carbonitrile
A2O7N0.72
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.78
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.78
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.79
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.73
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,H,L3DD20.7
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,D,F,H1XMN0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.76
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.76
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.73
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.74
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.78
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.89
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.7
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.73
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.72