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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000482

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.81
PRY2-PROPYL-ANILINEA1OWY0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.83
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.83
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.72
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
271N-methyl-1-phenylmethanamineX2RBT0.83
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.8
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.78
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.86
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.86
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.7
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.72
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
CPUA,B1CR60.78
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.84
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.87
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.87
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.86
PEA2-PHENYLETHYLAMINEA1TNJ0.86
PEA2-PHENYLETHYLAMINED,H2HKM0.86
PEA2-PHENYLETHYLAMINEA1UTO0.86
PEA2-PHENYLETHYLAMINEA,B1D6Y0.86
PEA2-PHENYLETHYLAMINEA,B1D6Z0.86
PEA2-PHENYLETHYLAMINEA,B1D6U0.86
PEA2-PHENYLETHYLAMINEA1UTM0.86
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
BZZBENZYLHYDRAZINEA,B2E2V0.72
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
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
PHAPHENYLALANINALA,B1OB20.74
PHAPHENYLALANINALV,Y,Z2WDG0.74
PHAPHENYLALANINALV,Y,Z2WDK0.74
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.74
PHAPHENYLALANINALP3SGA0.74
PHAPHENYLALANINALA,B,C,D,E,F1OB50.74
PHAPHENYLALANINALV,Y,Z2WDM0.74
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.74
PHAPHENYLALANINALA,B1KDV0.74
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.74
PHAPHENYLALANINALA,B1KDY0.74
PHAPHENYLALANINALV,Y,Z3FIC0.74
PHAPHENYLALANINALV,Y,Z2WDH0.74
PHAPHENYLALANINALA,B1KE20.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.87
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.87
DPKDEPRENYLA,B2BYB0.84
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.83
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.83
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.82
B2FPHENYLALANINE BORONIC ACIDA,P1P060.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.82
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.82
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
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
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74