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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02872716

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
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
MS22,2-DICHLORO-1-METHANESULFINYL-
3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-
(4-BROMO-PHENYL)-ETHYL]-AMIDE
A,B,C6STD0.79
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.79
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.78
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.72
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.78
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.72
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.71
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.76
CPUA,B1CR60.7
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.73
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.78
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.7
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.72
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.75
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.78
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.9
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.9
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
TTXTENTOXINB1KMH0.7
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.77
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.74
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.7