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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01913436

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHOBENZHYDROXAMIC ACIDA,B1GX20.73
BHOBENZHYDROXAMIC ACIDA1HSR0.73
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.73
BHOBENZHYDROXAMIC ACIDA3GCK0.73
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.73
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.74
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.78
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
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
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.75
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.71
FA4SM-25453A,B2D1O0.71
FA4SM-25453A,B2D1N0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.73
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.74
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.75
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.79
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.79
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.76
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.76
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.73
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS70.71
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS90.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
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
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.75
PFCPHENYLFERRICROCIN-IRONA1QJQ0.7
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.77
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.77
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.7
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.7
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.75
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.73
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.8
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71