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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326357

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.83
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.83
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.74
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
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
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
CPUA,B1CR60.7
DPKDEPRENYLA,B2BYB0.81
34A3,4-DIMETHYLANILINEA1L4K0.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.85
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
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
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.72
271N-methyl-1-phenylmethanamineX2RBT0.87
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
BZZBENZYLHYDRAZINEA,B2E2V0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.83
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.79
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
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
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.81
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.83
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.77
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.79
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72