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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01534456

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
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.73
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE		A,B2IIT0.72
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide		H,I3DHK0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.77
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide		B,H,L3DD20.76
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide		B,D,F,H1XMN0.76
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.78
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.79
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.77
MS22,2-DICHLORO-1-METHANESULFINYL-
3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-
(4-BROMO-PHENYL)-ETHYL]-AMIDE		A,B,C6STD0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.78
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.72
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
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.71
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.71
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZC90.74
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.75
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.75
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.84
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.84
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.78
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.73
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I3DUX0.74
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
PHAPHENYLALANINALA,B1OB20.75
PHAPHENYLALANINALV,Y,Z2WDG0.75
PHAPHENYLALANINALV,Y,Z2WDK0.75
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.75
PHAPHENYLALANINALP3SGA0.75
PHAPHENYLALANINALA,B,C,D,E,F1OB50.75
PHAPHENYLALANINALV,Y,Z2WDM0.75
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.75
PHAPHENYLALANINALA,B1KDV0.75
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.75
PHAPHENYLALANINALA,B1KDY0.75
PHAPHENYLALANINALV,Y,Z3FIC0.75
PHAPHENYLALANINALV,Y,Z2WDH0.75
PHAPHENYLALANINALA,B1KE20.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A2STD0.79
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A,B,C7STD0.79
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.78
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.78
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.78
NFAPHENYLALANINE AMIDEA2A4O0.78
NFAPHENYLALANINE AMIDEA,B1XAE0.78
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.78
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.78
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.78
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.74
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.7
CPUA,B1CR60.71
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER		A2G8J0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.84
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.75
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
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide		H,L3ELA0.77
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.73
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE		A,B2IIV0.72
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide		H,I3DT00.72
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZFP0.73
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.7