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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.78
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.76
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.76
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.76
NFAPHENYLALANINE AMIDEA2A4O0.76
NFAPHENYLALANINE AMIDEA,B1XAE0.76
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.76
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.76
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.78
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.75
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.7
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.71
3AB3-aminobenzamideA,B,C,D3GOY0.74
MQ9MENAQUINONE-9C,H,L,M3D380.75
MQ9MENAQUINONE-9C,H,L,M1VRN0.75
MQ9MENAQUINONE-9C,H,L,M2I5N0.75
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.74
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.82
MQ7MENAQUINONE-7C,H,L,M1PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.75
MQ7MENAQUINONE-7C,H,L,M5PRC0.75
MQ7MENAQUINONE-7C,H,L,M7PRC0.75
MQ7MENAQUINONE-7C,H,L,M2PRC0.75
MQ7MENAQUINONE-7C,H,L,M1R2C0.75
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.75
MQ7MENAQUINONE-7C,H,L,M3PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.75
MQ7MENAQUINONE-7C,H,L,M2JBL0.75
MQ7MENAQUINONE-7C,H,L,M6PRC0.75
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.76
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.8
BHOBENZHYDROXAMIC ACIDA1HSR0.8
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.8
BHOBENZHYDROXAMIC ACIDA3GCK0.8
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.8
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.71
ANQACENAPHTHENEQUINONEH,J1OAX0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.77
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.77
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.77
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.77
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		1QZV0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.8
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.7
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
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.7
1LPTRANYLCYPROMINEA,B1OJB0.73
PHMPHENYLALANYLMETHANEA,I1PJP0.78
PHMPHENYLALANYLMETHANEA,B,C2J9J0.78
PHMPHENYLALANYLMETHANEA,B,C2JE40.78
HBXbenzaldehydeA,B3GDN0.72
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.7
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
AC01-PHENYLETHANONEA1ZK10.83
AC01-PHENYLETHANONEA1ZK40.83
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77