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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01766150

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
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
DPKDEPRENYLA,B2BYB0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.78
PEA2-PHENYLETHYLAMINEA1TNJ0.78
PEA2-PHENYLETHYLAMINED,H2HKM0.78
PEA2-PHENYLETHYLAMINEA1UTO0.78
PEA2-PHENYLETHYLAMINEA,B1D6Y0.78
PEA2-PHENYLETHYLAMINEA,B1D6Z0.78
PEA2-PHENYLETHYLAMINEA,B1D6U0.78
PEA2-PHENYLETHYLAMINEA1UTM0.78
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
N4BN-BUTYLBENZENEA186L0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
I4BISOBUTYLBENZENEA184L0.73
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.79
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.82
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.85
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
DENINDENEA183L0.71
FPRPROPYLBENZENEC1RHK0.71
271N-methyl-1-phenylmethanamineX2RBT0.78
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71