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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00343896

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
BZZBENZYLHYDRAZINEA,B2E2V0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.88
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.73
CPUA,B1CR60.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.79
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.78
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.76
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.75
NYLN-ALLYL-ANILINEA1OVK0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.85
FBA4-FLUOROBENZYLAMINEA1TNH0.85
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.84
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
271N-methyl-1-phenylmethanamineX2RBT0.88
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.79
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.72
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
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.82
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.74
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
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
DPKDEPRENYLA,B2BYB0.78
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.81
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.8
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.78
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.79
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.7