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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03807835

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
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
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.76
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.86
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.86
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
271N-methyl-1-phenylmethanamineX2RBT0.8
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
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.79
34A3,4-DIMETHYLANILINEA1L4K0.73
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.87
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.87
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
BDBA,B1KE30.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.76
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,D3CCB0.91
BENBENZAMIDINEA2TIO0.74
BENBENZAMIDINEA1J150.74
BENBENZAMIDINEA,B3BEU0.74
BENBENZAMIDINET1V2U0.74
BENBENZAMIDINEA,B,C,D,E,F3CF80.74
BENBENZAMIDINEA1S0R0.74
BENBENZAMIDINEA,B1V160.74
BENBENZAMIDINEA1CC70.74
BENBENZAMIDINEA3BG80.74
BENBENZAMIDINEA1CC80.74
BENBENZAMIDINEA3PTB0.74
BENBENZAMIDINEA,B1TRM0.74
BENBENZAMIDINEA1ZHR0.74
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.74
BENBENZAMIDINEA2BLV0.74
BENBENZAMIDINEA,B,C,D,E,F2GLP0.74
BENBENZAMIDINEH,I3D490.74
BENBENZAMIDINEH,L,T2AER0.74
BENBENZAMIDINEA1J140.74
BENBENZAMIDINEA1NSA0.74
BENBENZAMIDINEA2AYW0.74
BENBENZAMIDINEA1BRA0.74
BENBENZAMIDINEA,B,C,D1A0J0.74
BENBENZAMIDINEB,C,D2AST0.74
BENBENZAMIDINEA,B2CKR0.74
BENBENZAMIDINEA1LPU0.74
BENBENZAMIDINEA1ZHM0.74
BENBENZAMIDINEA1J8A0.74
BENBENZAMIDINEA,B3BCX0.74
BENBENZAMIDINEA,B,C,D,E,F3CF90.74
BENBENZAMIDINEA,B,C,D,E,F3D040.74
BENBENZAMIDINEA,B,C,D,E,F2GLL0.74
BENBENZAMIDINEA1AND0.74
BENBENZAMIDINEA2TBS0.74
BENBENZAMIDINEA,B,C,D,E,F3DP20.74
BENBENZAMIDINET1V2M0.74
BENBENZAMIDINEA2EEK0.74
BENBENZAMIDINEH,I2ZI20.74
BENBENZAMIDINET1V2J0.74
BENBENZAMIDINEH1KLI0.74
BENBENZAMIDINEA1CE50.74
BENBENZAMIDINEA,B,C,D,E,F3B7J0.74
BENBENZAMIDINEB,Y2PKA0.74
BENBENZAMIDINEA2VJ00.74
BENBENZAMIDINEA3B3J0.74
BENBENZAMIDINEA,B,C,D,E,F3DOY0.74
BENBENZAMIDINEA,B,C,D,E,F3DP30.74
BENBENZAMIDINEA,B,C,D,E,F2GLM0.74
BENBENZAMIDINEA1ANB0.74
BENBENZAMIDINEA1LO60.74
BENBENZAMIDINEA1LR40.74
BENBENZAMIDINEA,B1V1M0.74
BENBENZAMIDINEA1ZHP0.74
BENBENZAMIDINEA2J9N0.74
BENBENZAMIDINEA2BMV0.74
BENBENZAMIDINEA,B2CKS0.74
BENBENZAMIDINEA2BLW0.74
BENBENZAMIDINEA1J160.74
BENBENZAMIDINEA,B1V110.74
BENBENZAMIDINEA,B,C,D,E,F3DP00.74
BENBENZAMIDINEB1RTF0.74
BENBENZAMIDINEA,B,C,D,E,F3DP10.74
BENBENZAMIDINEA,B,C,D2E580.74
BENBENZAMIDINEA2TRM0.74
BENBENZAMIDINET1V2V0.74
BENBENZAMIDINEA1MBQ0.74
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.74
BENBENZAMIDINEA2O8U0.74
BENBENZAMIDINEH1DWB0.74
BENBENZAMIDINEB,C2ASS0.74
BENBENZAMIDINEA1ANE0.74
BENBENZAMIDINEH,I2ZIQ0.74
BENBENZAMIDINEA1BIT0.74
BENBENZAMIDINEA2AIQ0.74
BENBENZAMIDINEA2OQ50.74
BENBENZAMIDINEA1ANC0.74
BENBENZAMIDINEH1JBU0.74
BENBENZAMIDINEA,B2BPQ0.74
BENBENZAMIDINEA,B,C,D2GNN0.74
BENBENZAMIDINET1V2S0.74
BENBENZAMIDINEA1H4W0.74
BENBENZAMIDINEA1OSS0.74
BENBENZAMIDINEA1W800.74
BENBENZAMIDINEA1BTY0.74
BENBENZAMIDINEH,I2ZFQ0.74
BENBENZAMIDINEA1EAX0.74
BENBENZAMIDINEA1L2E0.74
BENBENZAMIDINEA1WRI0.74
BENBENZAMIDINEA,B3BB80.74
BENBENZAMIDINEA2OXS0.74
BENBENZAMIDINEA1DPO0.74
BENBENZAMIDINET1V2L0.74
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
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
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
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
PRY2-PROPYL-ANILINEA1OWY0.76
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.88
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
BZZBENZYLHYDRAZINEA,B2E2V0.8
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
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
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
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.85
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
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
9AP9-AMINOPHENANTHRENEA1EGY0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
CPUA,B1CR60.76
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.76
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
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
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.77
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.77
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
BAMBENZAMIDINEU1F5K0.74
BAMBENZAMIDINEX2BY80.74
BAMBENZAMIDINEB2PSM0.74
BAMBENZAMIDINEX2BY90.74
BAMBENZAMIDINEA1C1N0.74
BAMBENZAMIDINEX2BY60.74
BAMBENZAMIDINEH,I1C5O0.74
BAMBENZAMIDINEA1XX40.74
BAMBENZAMIDINEA1HJ80.74
BAMBENZAMIDINEA1C5P0.74
BAMBENZAMIDINEB1C5Z0.74
BAMBENZAMIDINEA,B1ZVW0.74
BAMBENZAMIDINEA2ANW0.74
BAMBENZAMIDINEA2ANY0.74
BAMBENZAMIDINEX2BYA0.74
BAMBENZAMIDINEA1TIO0.74
BAMBENZAMIDINEX2BY50.74
BAMBENZAMIDINEX2BY70.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.8
DPKDEPRENYLA,B2BYB0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.82
FBA4-FLUOROBENZYLAMINEA1TNH0.82
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