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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03807350

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.89
PRY2-PROPYL-ANILINEA1OWY0.78
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.8
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.87
FPRPROPYLBENZENEC1RHK0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.87
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
34A3,4-DIMETHYLANILINEA1L4K0.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.78
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
MBNTOLUENEA,B3D7O0.77
MBNTOLUENEA,B1R1X0.77
MBNTOLUENEA,B1JLX0.77
MBNTOLUENEA,B,C,D3D170.77
MBNTOLUENEA,B2VRL0.77
MBNTOLUENEA,I2Z3E0.77
MBNTOLUENEA,B1YZI0.77
MBNTOLUENEA,B2DN10.77
MBNTOLUENEA,B3EN10.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
HPHPHENYLALANINDIOLI1E5O0.7
HPHPHENYLALANINDIOLA,B1ODX0.7
HPHPHENYLALANINDIOLA,B1MTB0.7
HPHPHENYLALANINDIOLA,B2FGV0.7
HPHPHENYLALANINDIOLA1ODW0.7
HPHPHENYLALANINDIOLA,B2FGU0.7
HPHPHENYLALANINDIOLA,B1HXB0.7
271N-methyl-1-phenylmethanamineX2RBT0.9
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.76
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.91
PEA2-PHENYLETHYLAMINEA1TNJ0.91
PEA2-PHENYLETHYLAMINED,H2HKM0.91
PEA2-PHENYLETHYLAMINEA1UTO0.91
PEA2-PHENYLETHYLAMINEA,B1D6Y0.91
PEA2-PHENYLETHYLAMINEA,B1D6Z0.91
PEA2-PHENYLETHYLAMINEA,B1D6U0.91
PEA2-PHENYLETHYLAMINEA1UTM0.91
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.7
BHOBENZHYDROXAMIC ACIDA1HSR0.7
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.7
BHOBENZHYDROXAMIC ACIDA3GCK0.7
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.84
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.84
PBN4-PHENYLBUTYLAMINEA1TNI0.9
PBN4-PHENYLBUTYLAMINEA1UTP0.9
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.87
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.87
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.9
PRA3-PHENYLPROPYLAMINEM1UTL0.9
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.96
FBA4-FLUOROBENZYLAMINEA1TNH0.96
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
2HT3-methylbenzonitrileA,B3F880.7
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
DPKDEPRENYLA,B2BYB0.79
I4BISOBUTYLBENZENEA184L0.73
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.87
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
BAMBENZAMIDINEU1F5K0.83
BAMBENZAMIDINEX2BY80.83
BAMBENZAMIDINEB2PSM0.83
BAMBENZAMIDINEX2BY90.83
BAMBENZAMIDINEA1C1N0.83
BAMBENZAMIDINEX2BY60.83
BAMBENZAMIDINEH,I1C5O0.83
BAMBENZAMIDINEA1XX40.83
BAMBENZAMIDINEA1HJ80.83
BAMBENZAMIDINEA1C5P0.83
BAMBENZAMIDINEB1C5Z0.83
BAMBENZAMIDINEA,B1ZVW0.83
BAMBENZAMIDINEA2ANW0.83
BAMBENZAMIDINEA2ANY0.83
BAMBENZAMIDINEX2BYA0.83
BAMBENZAMIDINEA1TIO0.83
BAMBENZAMIDINEX2BY50.83
BAMBENZAMIDINEX2BY70.83
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
BZZBENZYLHYDRAZINEA,B2E2V0.9
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
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
N4BN-BUTYLBENZENEA186L0.75
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
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.87
B2FPHENYLALANINE BORONIC ACIDA,P1P060.87
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.87
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.87
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.94
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.94
BNFN-BENZYLFORMAMIDEA,B1U3U0.83
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
2631-(azidomethyl)-3-methylbenzeneX2RB20.87
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
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
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.84
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
BENBENZAMIDINEA2TIO0.83
BENBENZAMIDINEA1J150.83
BENBENZAMIDINEA,B3BEU0.83
BENBENZAMIDINET1V2U0.83
BENBENZAMIDINEA,B,C,D,E,F3CF80.83
BENBENZAMIDINEA1S0R0.83
BENBENZAMIDINEA,B1V160.83
BENBENZAMIDINEA1CC70.83
BENBENZAMIDINEA3BG80.83
BENBENZAMIDINEA1CC80.83
BENBENZAMIDINEA3PTB0.83
BENBENZAMIDINEA,B1TRM0.83
BENBENZAMIDINEA1ZHR0.83
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.83
BENBENZAMIDINEA2BLV0.83
BENBENZAMIDINEA,B,C,D,E,F2GLP0.83
BENBENZAMIDINEH,I3D490.83
BENBENZAMIDINEH,L,T2AER0.83
BENBENZAMIDINEA1J140.83
BENBENZAMIDINEA1NSA0.83
BENBENZAMIDINEA2AYW0.83
BENBENZAMIDINEA1BRA0.83
BENBENZAMIDINEA,B,C,D1A0J0.83
BENBENZAMIDINEB,C,D2AST0.83
BENBENZAMIDINEA,B2CKR0.83
BENBENZAMIDINEA1LPU0.83
BENBENZAMIDINEA1ZHM0.83
BENBENZAMIDINEA1J8A0.83
BENBENZAMIDINEA,B3BCX0.83
BENBENZAMIDINEA,B,C,D,E,F3CF90.83
BENBENZAMIDINEA,B,C,D,E,F3D040.83
BENBENZAMIDINEA,B,C,D,E,F2GLL0.83
BENBENZAMIDINEA1AND0.83
BENBENZAMIDINEA2TBS0.83
BENBENZAMIDINEA,B,C,D,E,F3DP20.83
BENBENZAMIDINET1V2M0.83
BENBENZAMIDINEA2EEK0.83
BENBENZAMIDINEH,I2ZI20.83
BENBENZAMIDINET1V2J0.83
BENBENZAMIDINEH1KLI0.83
BENBENZAMIDINEA1CE50.83
BENBENZAMIDINEA,B,C,D,E,F3B7J0.83
BENBENZAMIDINEB,Y2PKA0.83
BENBENZAMIDINEA2VJ00.83
BENBENZAMIDINEA3B3J0.83
BENBENZAMIDINEA,B,C,D,E,F3DOY0.83
BENBENZAMIDINEA,B,C,D,E,F3DP30.83
BENBENZAMIDINEA,B,C,D,E,F2GLM0.83
BENBENZAMIDINEA1ANB0.83
BENBENZAMIDINEA1LO60.83
BENBENZAMIDINEA1LR40.83
BENBENZAMIDINEA,B1V1M0.83
BENBENZAMIDINEA1ZHP0.83
BENBENZAMIDINEA2J9N0.83
BENBENZAMIDINEA2BMV0.83
BENBENZAMIDINEA,B2CKS0.83
BENBENZAMIDINEA2BLW0.83
BENBENZAMIDINEA1J160.83
BENBENZAMIDINEA,B1V110.83
BENBENZAMIDINEA,B,C,D,E,F3DP00.83
BENBENZAMIDINEB1RTF0.83
BENBENZAMIDINEA,B,C,D,E,F3DP10.83
BENBENZAMIDINEA,B,C,D2E580.83
BENBENZAMIDINEA2TRM0.83
BENBENZAMIDINET1V2V0.83
BENBENZAMIDINEA1MBQ0.83
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.83
BENBENZAMIDINEA2O8U0.83
BENBENZAMIDINEH1DWB0.83
BENBENZAMIDINEB,C2ASS0.83
BENBENZAMIDINEA1ANE0.83
BENBENZAMIDINEH,I2ZIQ0.83
BENBENZAMIDINEA1BIT0.83
BENBENZAMIDINEA2AIQ0.83
BENBENZAMIDINEA2OQ50.83
BENBENZAMIDINEA1ANC0.83
BENBENZAMIDINEH1JBU0.83
BENBENZAMIDINEA,B2BPQ0.83
BENBENZAMIDINEA,B,C,D2GNN0.83
BENBENZAMIDINET1V2S0.83
BENBENZAMIDINEA1H4W0.83
BENBENZAMIDINEA1OSS0.83
BENBENZAMIDINEA1W800.83
BENBENZAMIDINEA1BTY0.83
BENBENZAMIDINEH,I2ZFQ0.83
BENBENZAMIDINEA1EAX0.83
BENBENZAMIDINEA1L2E0.83
BENBENZAMIDINEA1WRI0.83
BENBENZAMIDINEA,B3BB80.83
BENBENZAMIDINEA2OXS0.83
BENBENZAMIDINEA1DPO0.83
BENBENZAMIDINET1V2L0.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.74
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
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
ABNBENZYLAMINED,H2HXC1
ABNBENZYLAMINEA,I1A861
ABNBENZYLAMINEA1UTN1
ABNBENZYLAMINEA1N6X1
ABNBENZYLAMINEA2BZA1
ABNBENZYLAMINEA2EUS1
ABNBENZYLAMINEA1N6Y1
ABNBENZYLAMINEA1UTJ1