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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02791588

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.89
BHOBENZHYDROXAMIC ACIDA1HSR0.89
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.89
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.89
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.89
BHOBENZHYDROXAMIC ACIDA3GCK0.89
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.89
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.7
CRIA,B1VKG0.73
MQ9MENAQUINONE-9C,H,L,M3D380.7
MQ9MENAQUINONE-9C,H,L,M1VRN0.7
MQ9MENAQUINONE-9C,H,L,M2I5N0.7
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.7
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
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.7
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.7
MQ7MENAQUINONE-7C,H,L,M5PRC0.7
MQ7MENAQUINONE-7C,H,L,M7PRC0.7
MQ7MENAQUINONE-7C,H,L,M2PRC0.7
MQ7MENAQUINONE-7C,H,L,M1R2C0.7
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.7
MQ7MENAQUINONE-7C,H,L,M3PRC0.7
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.7
MQ7MENAQUINONE-7C,H,L,M2JBL0.7
MQ7MENAQUINONE-7C,H,L,M6PRC0.7
3AB3-aminobenzamideA,B,C,D3GOY0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
AC01-PHENYLETHANONEA1ZK10.73
AC01-PHENYLETHANONEA1ZK40.73
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.73
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.71
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.77
MQ8MENAQUINONE 8C,H,L,M1EYS0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.73
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.75
ANQACENAPHTHENEQUINONEH,J1OAX0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.87
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.79
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.76
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.7
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.7
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.7
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.7
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
1QZV0.7
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72