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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01176959

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.77
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.72
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.77
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.7
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.78
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.72
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.83
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.83
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.85
PZQPRAZIQUANTELA1GTB0.74
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.8
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.73
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.72
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.76
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
TTXTENTOXINB1KMH0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.78
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.78
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.7
DPKDEPRENYLA,B2BYB0.78
271N-methyl-1-phenylmethanamineX2RBT0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.78
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77