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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02307517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
ABNBENZYLAMINED,H2HXC0.8
ABNBENZYLAMINEA,I1A860.8
ABNBENZYLAMINEA1UTN0.8
ABNBENZYLAMINEA1N6X0.8
ABNBENZYLAMINEA2BZA0.8
ABNBENZYLAMINEA2EUS0.8
ABNBENZYLAMINEA1N6Y0.8
ABNBENZYLAMINEA1UTJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.78
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.74
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
BZZBENZYLHYDRAZINEA,B2E2V0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.85
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
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
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
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
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.75
DPKDEPRENYLA,B2BYB0.79
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.77
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
271N-methyl-1-phenylmethanamineX2RBT0.89
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.78
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.73
NYLN-ALLYL-ANILINEA1OVK0.7
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.77
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.71
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77