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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076524

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
271N-methyl-1-phenylmethanamineX2RBT0.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C731
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y1
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C751
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C761
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C721
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.92
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
34A3,4-DIMETHYLANILINEA1L4K0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.94
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK41
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q1
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
CPUA,B1CR60.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
BZZBENZYLHYDRAZINEA,B2E2V0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
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
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
DPKDEPRENYLA,B2BYB0.77
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.73
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.73