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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00754540

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPKDEPRENYLA,B2BYB0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
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
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
CPUA,B1CR60.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
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
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.76
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.8
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
BZZBENZYLHYDRAZINEA,B2E2V0.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.8
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.74
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.73
271N-methyl-1-phenylmethanamineX2RBT0.84
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.79
FBA4-FLUOROBENZYLAMINEA1TNH0.79
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.8
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.84
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.7
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.76
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.83
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.78
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.83
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77