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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03806517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
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
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.77
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
CPUA,B1CR60.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.84
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.8
PRA3-PHENYLPROPYLAMINEM1UTL0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.8
PBN4-PHENYLBUTYLAMINEA1UTP0.8
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.71
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.8
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.79
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.79
DPKDEPRENYLA,B2BYB0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.89
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.89
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.89
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.78
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.79
PEA2-PHENYLETHYLAMINEA1TNJ0.79
PEA2-PHENYLETHYLAMINED,H2HKM0.79
PEA2-PHENYLETHYLAMINEA1UTO0.79
PEA2-PHENYLETHYLAMINEA,B1D6Y0.79
PEA2-PHENYLETHYLAMINEA,B1D6Z0.79
PEA2-PHENYLETHYLAMINEA,B1D6U0.79
PEA2-PHENYLETHYLAMINEA1UTM0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.83
B2FPHENYLALANINE BORONIC ACIDA,P1P060.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.83
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.83
271N-methyl-1-phenylmethanamineX2RBT0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.85
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.85