MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02400384

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.73
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.82
N4B	N-BUTYLBENZENE	A	186L	0.83
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.86
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.86
NPY	NAPHTHALENE	A,B	1O7G	0.74
BDB		A,B	1KE3	0.74
2HT	3-methylbenzonitrile	A,B	3F88	0.75
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.76
NFA	PHENYLALANINE AMIDE	A	2A4O	0.76
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.76
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.76
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.7
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.78
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.73
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.75
271	N-methyl-1-phenylmethanamine	X	2RBT	0.8
PYL	PHENYLETHANE	C	1B07	0.83
PYL	PHENYLETHANE	A,B	2VRM	0.83
PYL	PHENYLETHANE	A	1NHB	0.83
HPH	PHENYLALANINDIOL	I	1E5O	0.7
HPH	PHENYLALANINDIOL	A,B	1ODX	0.7
HPH	PHENYLALANINDIOL	A,B	1MTB	0.7
HPH	PHENYLALANINDIOL	A,B	2FGV	0.7
HPH	PHENYLALANINDIOL	A	1ODW	0.7
HPH	PHENYLALANINDIOL	A,B	2FGU	0.7
HPH	PHENYLALANINDIOL	A,B	1HXB	0.7
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.72
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.71
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.91
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.91
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.91
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.91
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.91
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.91
BEN	BENZAMIDINE	A	2TIO	0.75
BEN	BENZAMIDINE	A	1J15	0.75
BEN	BENZAMIDINE	A,B	3BEU	0.75
BEN	BENZAMIDINE	T	1V2U	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.75
BEN	BENZAMIDINE	A	1S0R	0.75
BEN	BENZAMIDINE	A,B	1V16	0.75
BEN	BENZAMIDINE	A	1CC7	0.75
BEN	BENZAMIDINE	A	3BG8	0.75
BEN	BENZAMIDINE	A	1CC8	0.75
BEN	BENZAMIDINE	A	3PTB	0.75
BEN	BENZAMIDINE	A,B	1TRM	0.75
BEN	BENZAMIDINE	A	1ZHR	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.75
BEN	BENZAMIDINE	A	2BLV	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.75
BEN	BENZAMIDINE	H,I	3D49	0.75
BEN	BENZAMIDINE	H,L,T	2AER	0.75
BEN	BENZAMIDINE	A	1J14	0.75
BEN	BENZAMIDINE	A	1NSA	0.75
BEN	BENZAMIDINE	A	2AYW	0.75
BEN	BENZAMIDINE	A	1BRA	0.75
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.75
BEN	BENZAMIDINE	B,C,D	2AST	0.75
BEN	BENZAMIDINE	A,B	2CKR	0.75
BEN	BENZAMIDINE	A	1LPU	0.75
BEN	BENZAMIDINE	A	1ZHM	0.75
BEN	BENZAMIDINE	A	1J8A	0.75
BEN	BENZAMIDINE	A,B	3BCX	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.75
BEN	BENZAMIDINE	A	1AND	0.75
BEN	BENZAMIDINE	A	2TBS	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.75
BEN	BENZAMIDINE	T	1V2M	0.75
BEN	BENZAMIDINE	A	2EEK	0.75
BEN	BENZAMIDINE	H,I	2ZI2	0.75
BEN	BENZAMIDINE	T	1V2J	0.75
BEN	BENZAMIDINE	H	1KLI	0.75
BEN	BENZAMIDINE	A	1CE5	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.75
BEN	BENZAMIDINE	B,Y	2PKA	0.75
BEN	BENZAMIDINE	A	2VJ0	0.75
BEN	BENZAMIDINE	A	3B3J	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.75
BEN	BENZAMIDINE	A	1ANB	0.75
BEN	BENZAMIDINE	A	1LO6	0.75
BEN	BENZAMIDINE	A	1LR4	0.75
BEN	BENZAMIDINE	A,B	1V1M	0.75
BEN	BENZAMIDINE	A	1ZHP	0.75
BEN	BENZAMIDINE	A	2J9N	0.75
BEN	BENZAMIDINE	A	2BMV	0.75
BEN	BENZAMIDINE	A,B	2CKS	0.75
BEN	BENZAMIDINE	A	2BLW	0.75
BEN	BENZAMIDINE	A	1J16	0.75
BEN	BENZAMIDINE	A,B	1V11	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.75
BEN	BENZAMIDINE	B	1RTF	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.75
BEN	BENZAMIDINE	A,B,C,D	2E58	0.75
BEN	BENZAMIDINE	A	2TRM	0.75
BEN	BENZAMIDINE	T	1V2V	0.75
BEN	BENZAMIDINE	A	1MBQ	0.75
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.75
BEN	BENZAMIDINE	A	2O8U	0.75
BEN	BENZAMIDINE	H	1DWB	0.75
BEN	BENZAMIDINE	B,C	2ASS	0.75
BEN	BENZAMIDINE	A	1ANE	0.75
BEN	BENZAMIDINE	H,I	2ZIQ	0.75
BEN	BENZAMIDINE	A	1BIT	0.75
BEN	BENZAMIDINE	A	2AIQ	0.75
BEN	BENZAMIDINE	A	2OQ5	0.75
BEN	BENZAMIDINE	A	1ANC	0.75
BEN	BENZAMIDINE	H	1JBU	0.75
BEN	BENZAMIDINE	A,B	2BPQ	0.75
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.75
BEN	BENZAMIDINE	T	1V2S	0.75
BEN	BENZAMIDINE	A	1H4W	0.75
BEN	BENZAMIDINE	A	1OSS	0.75
BEN	BENZAMIDINE	A	1W80	0.75
BEN	BENZAMIDINE	A	1BTY	0.75
BEN	BENZAMIDINE	H,I	2ZFQ	0.75
BEN	BENZAMIDINE	A	1EAX	0.75
BEN	BENZAMIDINE	A	1L2E	0.75
BEN	BENZAMIDINE	A	1WRI	0.75
BEN	BENZAMIDINE	A,B	3BB8	0.75
BEN	BENZAMIDINE	A	2OXS	0.75
BEN	BENZAMIDINE	A	1DPO	0.75
BEN	BENZAMIDINE	T	1V2L	0.75
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.72
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.74
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.9
PRY	2-PROPYL-ANILINE	A	1OWY	0.73
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.77
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.9
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.9
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.7
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.87
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.87
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.79
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.79
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.79
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.9
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.9
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.76
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
DEN	INDENE	A	183L	0.77
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.73
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.73
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.8
34A	3,4-DIMETHYLANILINE	A	1L4K	0.7
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.7
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.71
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.81
PHA	PHENYLALANINAL	A,B	1OB2	0.73
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.73
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.73
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.73
PHA	PHENYLALANINAL	P	3SGA	0.73
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.73
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.73
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.73
PHA	PHENYLALANINAL	A,B	1KDV	0.73
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.73
PHA	PHENYLALANINAL	A,B	1KDY	0.73
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.73
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.73
PHA	PHENYLALANINAL	A,B	1KE2	0.73
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.75
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.75
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.8
OXE	ORTHO-XYLENE	A,B	3E0X	0.8
OXE	ORTHO-XYLENE	A	188L	0.8
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.9
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.79
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.79
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.87
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.75
DPK	DEPRENYL	A,B	2BYB	0.84
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.87
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.87
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.87
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.87
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.87
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
FPR	PROPYLBENZENE	C	1RHK	0.83
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.71
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.74
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.75
CPU		A,B	1CR6	0.71
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.83
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.83
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.81
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.78
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.86
ABN	BENZYLAMINE	A,I	1A86	0.86
ABN	BENZYLAMINE	A	1UTN	0.86
ABN	BENZYLAMINE	A	1N6X	0.86
ABN	BENZYLAMINE	A	2BZA	0.86
ABN	BENZYLAMINE	A	2EUS	0.86
ABN	BENZYLAMINE	A	1N6Y	0.86
ABN	BENZYLAMINE	A	1UTJ	0.86
BAM	BENZAMIDINE	U	1F5K	0.75
BAM	BENZAMIDINE	X	2BY8	0.75
BAM	BENZAMIDINE	B	2PSM	0.75
BAM	BENZAMIDINE	X	2BY9	0.75
BAM	BENZAMIDINE	A	1C1N	0.75
BAM	BENZAMIDINE	X	2BY6	0.75
BAM	BENZAMIDINE	H,I	1C5O	0.75
BAM	BENZAMIDINE	A	1XX4	0.75
BAM	BENZAMIDINE	A	1HJ8	0.75
BAM	BENZAMIDINE	A	1C5P	0.75
BAM	BENZAMIDINE	B	1C5Z	0.75
BAM	BENZAMIDINE	A,B	1ZVW	0.75
BAM	BENZAMIDINE	A	2ANW	0.75
BAM	BENZAMIDINE	A	2ANY	0.75
BAM	BENZAMIDINE	X	2BYA	0.75
BAM	BENZAMIDINE	A	1TIO	0.75
BAM	BENZAMIDINE	X	2BY5	0.75
BAM	BENZAMIDINE	X	2BY7	0.75
PHL	L-PHENYLALANINOL	A,B	1JOH	0.73
PHL	L-PHENYLALANINOL	I	3APR	0.73
PHL	L-PHENYLALANINOL	A	1DLZ	0.73
PHL	L-PHENYLALANINOL	A	1IH9	0.73
PHL	L-PHENYLALANINOL	A	1OB4	0.73
PHL	L-PHENYLALANINOL	I	2ER6	0.73
PHL	L-PHENYLALANINOL	A	1R9U	0.73
PHL	L-PHENYLALANINOL	A	1OB7	0.73
PHL	L-PHENYLALANINOL	A,B	1OB6	0.73
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.73
PXY	PARA-XYLENE	A	187L	0.8
PXY	PARA-XYLENE	A	225L	0.8
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.73
MBN	TOLUENE	A,B	3D7O	0.8
MBN	TOLUENE	A,B	1R1X	0.8
MBN	TOLUENE	A,B	1JLX	0.8
MBN	TOLUENE	A,B,C,D	3D17	0.8
MBN	TOLUENE	A,B	2VRL	0.8
MBN	TOLUENE	A,I	2Z3E	0.8
MBN	TOLUENE	A,B	1YZI	0.8
MBN	TOLUENE	A,B	2DN1	0.8
MBN	TOLUENE	A,B	3EN1	0.8
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.84
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.7
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.7
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.7
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.75
I4B	ISOBUTYLBENZENE	A	184L	0.8
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.82
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.82