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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252315

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,B2C670.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.89
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.79
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.82
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.82
BZZBENZYLHYDRAZINEA,B2E2V0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.78
DPKDEPRENYLA,B2BYB0.88
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
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
N4BN-BUTYLBENZENEA186L0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.77
271N-methyl-1-phenylmethanamineX2RBT0.87
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.96
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
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-methylbenzeneA2RBQ0.82
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.81
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.85
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.73
FPRPROPYLBENZENEC1RHK0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
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
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.83
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.79