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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00445990

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
MQ8MENAQUINONE 8C,H,L,M1EYS0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.77
3PL3-PHENYLPROPANALE1Y3G0.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.72
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.73
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.74
MQ7MENAQUINONE-7C,H,L,M5PRC0.74
MQ7MENAQUINONE-7C,H,L,M7PRC0.74
MQ7MENAQUINONE-7C,H,L,M2PRC0.74
MQ7MENAQUINONE-7C,H,L,M1R2C0.74
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.74
MQ7MENAQUINONE-7C,H,L,M3PRC0.74
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.74
MQ7MENAQUINONE-7C,H,L,M2JBL0.74
MQ7MENAQUINONE-7C,H,L,M6PRC0.74
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q1B0.71
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q380.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.75
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
MQ9MENAQUINONE-9C,H,L,M3D380.74
MQ9MENAQUINONE-9C,H,L,M1VRN0.74
MQ9MENAQUINONE-9C,H,L,M2I5N0.74
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.79
PHMPHENYLALANYLMETHANEA,B,C2J9J0.79
PHMPHENYLALANYLMETHANEA,B,C2JE40.79
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.73
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.73
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.73
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
HBXbenzaldehydeA,B3GDN0.75
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
BHOBENZHYDROXAMIC ACIDA,B1GX20.82
BHOBENZHYDROXAMIC ACIDA1HSR0.82
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.82
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.82
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.82
BHOBENZHYDROXAMIC ACIDA3GCK0.82
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.82
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.76
3AB3-aminobenzamideA,B,C,D3GOY0.76
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.8
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
173BENZOYL-FORMIC ACIDA,B1SZE0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.74
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.74
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.74
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.74
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.74
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.73
AC01-PHENYLETHANONEA1ZK10.83
AC01-PHENYLETHANONEA1ZK40.83
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.72
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.78
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79