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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00377608

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.7
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.8
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.71
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.75
271N-methyl-1-phenylmethanamineX2RBT0.8
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.77
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.77
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
TTXTENTOXINB1KMH0.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.71
DPKDEPRENYLA,B2BYB0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.8
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.83
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.78
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
FA4SM-25453A,B2D1O0.7
FA4SM-25453A,B2D1N0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.78
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
CPUA,B1CR60.81
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.83
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.72