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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021600

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
GVR(2R)-N-hydroxy-3-naphthalen-2-yl-
2-[(naphthalen-2-ylsulfonyl)amino]propanamide
A,B,C2VES0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.75
1LPTRANYLCYPROMINEA,B1OJB0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.7
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.78
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
9AP9-AMINOPHENANTHRENEA1EGY0.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.7
NPYNAPHTHALENEA,B1O7G0.72
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.77
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.77
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.77
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.79
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.79
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.79
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.79
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.79
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.79
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.79
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.79
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.76
PHMPHENYLALANYLMETHANEA,I1PJP0.75
PHMPHENYLALANYLMETHANEA,B,C2J9J0.75
PHMPHENYLALANYLMETHANEA,B,C2JE40.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.78
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.78
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.78
NFAPHENYLALANINE AMIDEA2A4O0.78
NFAPHENYLALANINE AMIDEA,B1XAE0.78
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.78
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.78
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.78
PHAPHENYLALANINALA,B1OB20.74
PHAPHENYLALANINALV,Y,Z2WDG0.74
PHAPHENYLALANINALV,Y,Z2WDK0.74
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.74
PHAPHENYLALANINALP3SGA0.74
PHAPHENYLALANINALA,B,C,D,E,F1OB50.74
PHAPHENYLALANINALV,Y,Z2WDM0.74
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.74
PHAPHENYLALANINALA,B1KDV0.74
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.74
PHAPHENYLALANINALA,B1KDY0.74
PHAPHENYLALANINALV,Y,Z3FIC0.74
PHAPHENYLALANINALV,Y,Z2WDH0.74
PHAPHENYLALANINALA,B1KE20.74
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.71
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.74
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.71
BHOBENZHYDROXAMIC ACIDA1HSR0.71
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.71
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.71
BHOBENZHYDROXAMIC ACIDA3GCK0.71
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.71
BZQDIPHENYLMETHANONEA,B1GT50.72
BZQDIPHENYLMETHANONEA,B1DZP0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.89
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.89
ANQACENAPHTHENEQUINONEH,J1OAX0.74
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.75