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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247157

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
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.75
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.78
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.72
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.75
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
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.78
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.76
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.76
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.8
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.8
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.8
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.8
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.8
NFAPHENYLALANINE AMIDEA2A4O0.8
NFAPHENYLALANINE AMIDEA,B1XAE0.8
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.8
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.8
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.8
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.71
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.74
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.79
4PH4-methyl-L-phenylalanineB,C3BV90.71
271N-methyl-1-phenylmethanamineX2RBT0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.74
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
CPUA,B1CR60.71
1LPTRANYLCYPROMINEA,B1OJB0.73
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.82
BHOBENZHYDROXAMIC ACIDA,B1GX20.71
BHOBENZHYDROXAMIC ACIDA1HSR0.71
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.71
BHOBENZHYDROXAMIC ACIDA3GCK0.71
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.75
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
PHAPHENYLALANINALA,B1OB20.77
PHAPHENYLALANINALV,Y,Z2WDG0.77
PHAPHENYLALANINALV,Y,Z2WDK0.77
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.77
PHAPHENYLALANINALP3SGA0.77
PHAPHENYLALANINALA,B,C,D,E,F1OB50.77
PHAPHENYLALANINALV,Y,Z2WDM0.77
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.77
PHAPHENYLALANINALA,B1KDV0.77
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.77
PHAPHENYLALANINALA,B1KDY0.77
PHAPHENYLALANINALV,Y,Z3FIC0.77
PHAPHENYLALANINALV,Y,Z2WDH0.77
PHAPHENYLALANINALA,B1KE20.77
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.78
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.8
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.75
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79