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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125470

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
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.82
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
FPRPROPYLBENZENEC1RHK0.73
BAMBENZAMIDINEU1F5K0.71
BAMBENZAMIDINEX2BY80.71
BAMBENZAMIDINEB2PSM0.71
BAMBENZAMIDINEX2BY90.71
BAMBENZAMIDINEA1C1N0.71
BAMBENZAMIDINEX2BY60.71
BAMBENZAMIDINEH,I1C5O0.71
BAMBENZAMIDINEA1XX40.71
BAMBENZAMIDINEA1HJ80.71
BAMBENZAMIDINEA1C5P0.71
BAMBENZAMIDINEB1C5Z0.71
BAMBENZAMIDINEA,B1ZVW0.71
BAMBENZAMIDINEA2ANW0.71
BAMBENZAMIDINEA2ANY0.71
BAMBENZAMIDINEX2BYA0.71
BAMBENZAMIDINEA1TIO0.71
BAMBENZAMIDINEX2BY50.71
BAMBENZAMIDINEX2BY70.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
BZZBENZYLHYDRAZINEA,B2E2V0.92
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.78
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
ABNBENZYLAMINED,H2HXC0.83
ABNBENZYLAMINEA,I1A860.83
ABNBENZYLAMINEA1UTN0.83
ABNBENZYLAMINEA1N6X0.83
ABNBENZYLAMINEA2BZA0.83
ABNBENZYLAMINEA2EUS0.83
ABNBENZYLAMINEA1N6Y0.83
ABNBENZYLAMINEA1UTJ0.83
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
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.87
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.87
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
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
PRY2-PROPYL-ANILINEA1OWY0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
BENBENZAMIDINEA2TIO0.71
BENBENZAMIDINEA1J150.71
BENBENZAMIDINEA,B3BEU0.71
BENBENZAMIDINET1V2U0.71
BENBENZAMIDINEA,B,C,D,E,F3CF80.71
BENBENZAMIDINEA1S0R0.71
BENBENZAMIDINEA,B1V160.71
BENBENZAMIDINEA1CC70.71
BENBENZAMIDINEA3BG80.71
BENBENZAMIDINEA1CC80.71
BENBENZAMIDINEA3PTB0.71
BENBENZAMIDINEA,B1TRM0.71
BENBENZAMIDINEA1ZHR0.71
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.71
BENBENZAMIDINEA2BLV0.71
BENBENZAMIDINEA,B,C,D,E,F2GLP0.71
BENBENZAMIDINEH,I3D490.71
BENBENZAMIDINEH,L,T2AER0.71
BENBENZAMIDINEA1J140.71
BENBENZAMIDINEA1NSA0.71
BENBENZAMIDINEA2AYW0.71
BENBENZAMIDINEA1BRA0.71
BENBENZAMIDINEA,B,C,D1A0J0.71
BENBENZAMIDINEB,C,D2AST0.71
BENBENZAMIDINEA,B2CKR0.71
BENBENZAMIDINEA1LPU0.71
BENBENZAMIDINEA1ZHM0.71
BENBENZAMIDINEA1J8A0.71
BENBENZAMIDINEA,B3BCX0.71
BENBENZAMIDINEA,B,C,D,E,F3CF90.71
BENBENZAMIDINEA,B,C,D,E,F3D040.71
BENBENZAMIDINEA,B,C,D,E,F2GLL0.71
BENBENZAMIDINEA1AND0.71
BENBENZAMIDINEA2TBS0.71
BENBENZAMIDINEA,B,C,D,E,F3DP20.71
BENBENZAMIDINET1V2M0.71
BENBENZAMIDINEA2EEK0.71
BENBENZAMIDINEH,I2ZI20.71
BENBENZAMIDINET1V2J0.71
BENBENZAMIDINEH1KLI0.71
BENBENZAMIDINEA1CE50.71
BENBENZAMIDINEA,B,C,D,E,F3B7J0.71
BENBENZAMIDINEB,Y2PKA0.71
BENBENZAMIDINEA2VJ00.71
BENBENZAMIDINEA3B3J0.71
BENBENZAMIDINEA,B,C,D,E,F3DOY0.71
BENBENZAMIDINEA,B,C,D,E,F3DP30.71
BENBENZAMIDINEA,B,C,D,E,F2GLM0.71
BENBENZAMIDINEA1ANB0.71
BENBENZAMIDINEA1LO60.71
BENBENZAMIDINEA1LR40.71
BENBENZAMIDINEA,B1V1M0.71
BENBENZAMIDINEA1ZHP0.71
BENBENZAMIDINEA2J9N0.71
BENBENZAMIDINEA2BMV0.71
BENBENZAMIDINEA,B2CKS0.71
BENBENZAMIDINEA2BLW0.71
BENBENZAMIDINEA1J160.71
BENBENZAMIDINEA,B1V110.71
BENBENZAMIDINEA,B,C,D,E,F3DP00.71
BENBENZAMIDINEB1RTF0.71
BENBENZAMIDINEA,B,C,D,E,F3DP10.71
BENBENZAMIDINEA,B,C,D2E580.71
BENBENZAMIDINEA2TRM0.71
BENBENZAMIDINET1V2V0.71
BENBENZAMIDINEA1MBQ0.71
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.71
BENBENZAMIDINEA2O8U0.71
BENBENZAMIDINEH1DWB0.71
BENBENZAMIDINEB,C2ASS0.71
BENBENZAMIDINEA1ANE0.71
BENBENZAMIDINEH,I2ZIQ0.71
BENBENZAMIDINEA1BIT0.71
BENBENZAMIDINEA2AIQ0.71
BENBENZAMIDINEA2OQ50.71
BENBENZAMIDINEA1ANC0.71
BENBENZAMIDINEH1JBU0.71
BENBENZAMIDINEA,B2BPQ0.71
BENBENZAMIDINEA,B,C,D2GNN0.71
BENBENZAMIDINET1V2S0.71
BENBENZAMIDINEA1H4W0.71
BENBENZAMIDINEA1OSS0.71
BENBENZAMIDINEA1W800.71
BENBENZAMIDINEA1BTY0.71
BENBENZAMIDINEH,I2ZFQ0.71
BENBENZAMIDINEA1EAX0.71
BENBENZAMIDINEA1L2E0.71
BENBENZAMIDINEA1WRI0.71
BENBENZAMIDINEA,B3BB80.71
BENBENZAMIDINEA2OXS0.71
BENBENZAMIDINEA1DPO0.71
BENBENZAMIDINET1V2L0.71
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
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.79
FBA4-FLUOROBENZYLAMINEA1TNH0.79
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
I4BISOBUTYLBENZENEA184L0.71
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
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
DPKDEPRENYLA,B2BYB0.74
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
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.9
PEA2-PHENYLETHYLAMINEA1TNJ0.9
PEA2-PHENYLETHYLAMINED,H2HKM0.9
PEA2-PHENYLETHYLAMINEA1UTO0.9
PEA2-PHENYLETHYLAMINEA,B1D6Y0.9
PEA2-PHENYLETHYLAMINEA,B1D6Z0.9
PEA2-PHENYLETHYLAMINEA,B1D6U0.9
PEA2-PHENYLETHYLAMINEA1UTM0.9
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.73
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.7
HPHPHENYLALANINDIOLI1E5O0.71
HPHPHENYLALANINDIOLA,B1ODX0.71
HPHPHENYLALANINDIOLA,B1MTB0.71
HPHPHENYLALANINDIOLA,B2FGV0.71
HPHPHENYLALANINDIOLA1ODW0.71
HPHPHENYLALANINDIOLA,B2FGU0.71
HPHPHENYLALANINDIOLA,B1HXB0.71
N4BN-BUTYLBENZENEA186L0.73
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
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
CPUA,B1CR60.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.83
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.83
PBN4-PHENYLBUTYLAMINEA1TNI0.89
PBN4-PHENYLBUTYLAMINEA1UTP0.89
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.89
PRA3-PHENYLPROPYLAMINEM1UTL0.89
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.83
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.83
271N-methyl-1-phenylmethanamineX2RBT0.78
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.76
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
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71
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