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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01697430

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.7
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
BZZBENZYLHYDRAZINEA,B2E2V0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.86
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.8
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
DPKDEPRENYLA,B2BYB0.87
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.84
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.88
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.88
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.76
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.84
PRY2-PROPYL-ANILINEA1OWY0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.82
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.82
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.75
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
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
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
271N-methyl-1-phenylmethanamineX2RBT0.84
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.88
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.88
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.87
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.87
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.87
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.7
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.85
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.83
B2FPHENYLALANINE BORONIC ACIDA,P1P060.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.83
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.83
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
PHLL-PHENYLALANINOLA,B1JOH0.75
PHLL-PHENYLALANINOLI3APR0.75
PHLL-PHENYLALANINOLA1DLZ0.75
PHLL-PHENYLALANINOLA1IH90.75
PHLL-PHENYLALANINOLA1OB40.75
PHLL-PHENYLALANINOLI2ER60.75
PHLL-PHENYLALANINOLA1R9U0.75
PHLL-PHENYLALANINOLA1OB70.75
PHLL-PHENYLALANINOLA,B1OB60.75
PHLL-PHENYLALANINOLA,B,C1AMT0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.85
PRA3-PHENYLPROPYLAMINEM1UTL0.85
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
PBN4-PHENYLBUTYLAMINEA1TNI0.85
PBN4-PHENYLBUTYLAMINEA1UTP0.85
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.75
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
CPUA,B1CR60.81
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.7
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.75
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.75
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.75
NFAPHENYLALANINE AMIDEA2A4O0.75
NFAPHENYLALANINE AMIDEA,B1XAE0.75
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.75
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.75
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.86
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.86
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.87
PEA2-PHENYLETHYLAMINEA1TNJ0.87
PEA2-PHENYLETHYLAMINED,H2HKM0.87
PEA2-PHENYLETHYLAMINEA1UTO0.87
PEA2-PHENYLETHYLAMINEA,B1D6Y0.87
PEA2-PHENYLETHYLAMINEA,B1D6Z0.87
PEA2-PHENYLETHYLAMINEA,B1D6U0.87
PEA2-PHENYLETHYLAMINEA1UTM0.87
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71