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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00821839

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
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
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.75
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.71
DPKDEPRENYLA,B2BYB0.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
271N-methyl-1-phenylmethanamineX2RBT0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
TTXTENTOXINB1KMH0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.85
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.85
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.88
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.85
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.85
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.82
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
CPUA,B1CR60.76
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75