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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02807922

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.83
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.81
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.81
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.83
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.83
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.76
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.87
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.85
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
BZZBENZYLHYDRAZINEA,B2E2V0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
DPKDEPRENYLA,B2BYB0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
PHAPHENYLALANINALA,B1OB20.71
PHAPHENYLALANINALV,Y,Z2WDG0.71
PHAPHENYLALANINALV,Y,Z2WDK0.71
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.71
PHAPHENYLALANINALP3SGA0.71
PHAPHENYLALANINALA,B,C,D,E,F1OB50.71
PHAPHENYLALANINALV,Y,Z2WDM0.71
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.71
PHAPHENYLALANINALA,B1KDV0.71
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.71
PHAPHENYLALANINALA,B1KDY0.71
PHAPHENYLALANINALV,Y,Z3FIC0.71
PHAPHENYLALANINALV,Y,Z2WDH0.71
PHAPHENYLALANINALA,B1KE20.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.85
B2FPHENYLALANINE BORONIC ACIDA,P1P060.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.85
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.85
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.76
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.76
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.76
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
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
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
271N-methyl-1-phenylmethanamineX2RBT0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
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
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.83
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.83
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.78
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71